N-(1H-indol-5-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide

C18H14N4O2S — CID 51053064

IUPACN-(1H-indol-5-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-c2cccs2)ccc1=O)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C18H14N4O2S/c23-17(20-13-3-4-14-12(10-13)7-8-19-14)11-22-18(24)6-5-15(21-22)16-2-1-9-25-16/h1-10,19H,11H2,(H,20,23)
InChIKeyHUNLDHYVHLGSQV-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.09
Rot. Bonds4

About N-(1H-indol-5-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide

N-(1H-indol-5-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide (PubChem CID 51053064) has the molecular formula C18H14N4O2S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-(1H-indol-5-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1H-indol-5-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
PubChem CID51053064
Molecular FormulaC18H14N4O2S
Molecular Weight350.40 g/mol
Exact Mass350.08
IUPAC NameN-(1H-indol-5-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-c2cccs2)ccc1=O)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C18H14N4O2S/c23-17(20-13-3-4-14-12(10-13)7-8-19-14)11-22-18(24)6-5-15(21-22)16-2-1-9-25-16/h1-10,19H,11H2,(H,20,23)
InChIKeyHUNLDHYVHLGSQV-UHFFFAOYSA-N
XLogP3.09
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-indol-5-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 51048931
N-(1H-indazol-6-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
CID 121049976
N-(2-methylsulfanylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
CID 121049895
2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]acetic acid
CID 51053856
2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 121049992
methyl 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetate
CID 51043067
2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 7443510
2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 121049972
N-(6-methylheptan-2-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
CID 51053602
N,N,4-trimethyl-2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxamide
CID 121049989
2-phenacyl-6-thiophen-2-ylpyridazin-3-one
CID 43818842
methyl 5-(2-methylpropyl)-2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate
CID 71709990

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
The IUPAC name of N-(1H-indol-5-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide (CID 51053064) is N-(1H-indol-5-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-(1H-indol-5-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
The canonical SMILES for N-(1H-indol-5-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide is O=C(Cn1nc(-c2cccs2)ccc1=O)Nc1ccc2[nH]ccc2c1.
What is the InChIKey of N-(1H-indol-5-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
The InChIKey is HUNLDHYVHLGSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S/c23-17(20-13-3-4-14-12(10-13)7-8-19-14)11-22-18(24)6-5-15(21-22)16-2-1-9-25-16/h1-10,19H,11H2,(H,20,23).
What are the key properties of N-(1H-indol-5-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
N-(1H-indol-5-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide has a molecular weight of 350.40 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 51053064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).